| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:30 UTC |
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| Update Date | 2025-03-21 18:32:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089553 |
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| Frequency | 39.2 |
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| Structure | |
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| Chemical Formula | C16H29N3O6S |
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| Molecular Mass | 391.1777 |
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| SMILES | CSCCC(NC(=O)C(CC(C)C)NC(=O)CCC(N)C(=O)O)C(=O)O |
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| InChI Key | KUBATDSJJBAXJX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsbranched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesleucine and derivativesmethionine and derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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